[P2-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Japanese

[P2-3pm-08] Anisotropic diffusion of hydrogen atoms on Ru(S)[15(001)x2(100)]

Koutaro Matsuda¹, ○Takehiko Sasaki¹, Yiping Chen¹, Bo Thomsen², Motoyuki Shiga² (1. The University of Tokyo, 2. Japan Atomic Energy Agency)

Keywords:

Density functional theory,Machine Learning Potential,Quatum transition state theory,Ring polymer molecular dynamics